REMARK  Name = BDB025180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.200  -0.254   0.180  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        5.053  -0.900  -0.318  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.301  -2.251  -0.857  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.581  -3.250   0.279  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.189  -2.750  -1.776  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.857  -2.688  -1.059  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.614  -1.291  -0.567  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.286  -0.824  -0.430  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.113  -1.498  -0.653  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.863  -0.647  -0.402  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.351   0.580  -0.018  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        1.029   0.481  -0.040  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        2.061   1.382   0.215  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.376   0.906   0.098  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.688  -0.422  -0.238  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        7.344  -0.626  -0.078  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.084   1.787   0.355  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.850   2.416  -0.826  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.088   3.208  -0.383  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.837   3.920   0.949  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.539   2.939   2.085  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.949   1.609   1.610  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.477   4.197  -1.459  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.362   5.409  -1.421  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.995   3.587  -2.542  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.200   4.319  -3.162  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.132   1.379   1.589  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.960   0.774   1.040  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.312  -1.004  -0.541  0.00  0.00    +0.075 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.730  -2.016   0.532  0.00  0.00    +0.013 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.198  -2.480   0.506  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -4.651  -3.010  -0.843  0.00  0.00    +0.163 C 
ATOM     33  O   LIG    1       -5.174  -1.889  -1.562  0.00  0.00    -0.379 OA
ATOM     34  C   LIG    1       -5.651  -0.926  -0.617  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -5.202  -1.372   0.762  0.00  0.00    +0.034 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7